[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate

C16H17NO5 — CID 5160797

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C16H17NO5/c1-11-5-6-14(15(8-11)20-2)21-10-16(19)22-9-13(18)12-4-3-7-17-12/h3-8,17H,9-10H2,1-2H3
InChIKeyFWPYEYWPANENLG-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.14
Rot. Bonds7

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate (PubChem CID 5160797) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate
PubChem CID5160797
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate
SMILESCOc1cc(C)ccc1OCC(=O)OCC(=O)c1ccc[nH]1
InChIInChI=1S/C16H17NO5/c1-11-5-6-14(15(8-11)20-2)21-10-16(19)22-9-13(18)12-4-3-7-17-12/h3-8,17H,9-10H2,1-2H3
InChIKeyFWPYEYWPANENLG-UHFFFAOYSA-N
XLogP2.14
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrrole-derivative1
CID 21101227
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2546012
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2,4-dimethoxybenzoate
CID 3656970
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methylphenoxy)acetate
CID 4796279
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-methoxybenzoate
CID 5200704
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-cyanophenoxy)acetate
CID 5219260
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6176428
1-[2-(4-allyl-2-methoxyphenoxy)ethyl]-1H-pyrrole-2-carbaldehyde
CID 974671
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 2456666
ethyl 5-[2-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2470803
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 2998346
[1-[(4-Methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
CID 2999784

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate (CID 5160797) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate is COc1cc(C)ccc1OCC(=O)OCC(=O)c1ccc[nH]1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate?
The InChIKey is FWPYEYWPANENLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-11-5-6-14(15(8-11)20-2)21-10-16(19)22-9-13(18)12-4-3-7-17-12/h3-8,17H,9-10H2,1-2H3.
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate has a molecular weight of 303.31 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(2-methoxy-4-methylphenoxy)acetate is sourced from PubChem (CID 5160797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).